SCHEMBL1139982

SCHEMBL1139982

CC(C)C(=O)N(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.54
KMT2A Q03164 2/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC1 Q13547 2/20 0.46
FAAH O00519 1/20 0.45
PHGDH O43175 1/20 0.45
MGLL Q99685 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.44
LIPE Q05469 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26644166 0.83 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8586518 0.83 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26644163 0.83 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17775467 0.83 HDAC1 (0.48) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7497496 0.83 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13831220 0.83 KMT2A (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28941358 0.82 HDAC1 (0.50) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6672366 0.82 MLYCD (0.54) MLYCDKMT2APOLBHDAC1CA12
SCHEMBL1822378 0.82 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL8010212 0.82 KMT2A (0.44) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007094-A2 ASTHMA AND ALLERGIC INFLAMMATION MODULATORS TULARIK INC. (US) 2005-01-27 WO claimed
JP-57144203-A None JP disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
WO-2023077218-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-05-11 WO disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-6511991-B2 Treating an amines with acetamidating agents to formacetamidine derivatives of the amine-containing compounds and treating the acetamidine derivatives with nitric oxide gas to form an amidine-derived diazeniumdiolate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-01-28 US disclosed
US-20010025052-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same HRABIE JOSEPH A (US) 2001-09-27 US disclosed
US-6232336-B1 HYPOTENSIVE AGENTS; NEUROTRANSMISSION; CYTOTOXICITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-05-15 US disclosed
EP-1000023-A2 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2000-05-17 EP disclosed
WO-1999001427-A2 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 1999-01-14 WO disclosed
US-4453975-A WEED CONTROL IN CROPS; ESPECIALLY RICE YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1984-06-12 US disclosed
EP-0061583-B1 HERBICIDAL COMPOSITIONS CONTAINING ALPHA-ALPHA-DIMETHYL PHENYLACETANILIDES YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1984-05-02 EP disclosed
EP-0061583-A1 Herbicidal compositions containing alpha-alpha-dimethyl phenylacetanilides YASHIMA CHEMICAL INDUSTRIAL CO., LTD. (JP) 1982-10-06 EP disclosed
JP-S57144203-A HERBICIDE YASHIMA CHEM IND CO LTD 1982-09-06 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK MLYCD 1151/4885KMT2A 2566/4885CHRNB2 4159/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT MLYCD 3451/4885KMT2A 1973/4885CHRNB2 2750/4885
US-20030158412-A1 Protected 3,5-dihydroxy-2,2-dimethyl-valeroamides for the synthesis of epothilones and derivatives and process for the production and the use DHPS, VARS1, CYP51A1 MLYCD 199/4885KMT2A 1241/4885CHRNB2 4402/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 MLYCD 2671/4885KMT2A 780/4885CHRNB2 4730/4885
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, NR1I2 MLYCD 3519/4885KMT2A 4270/4885CHRNB2 198/4885
US-20010025052-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same NOS2, NOS1, NOS3 MLYCD 777/4885KMT2A 3662/4885CHRNB2 175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.